N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

C18H31N5O2 — CID 54086029

IUPACN-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
SMILESCOCCOCCN(C)c1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H31N5O2/c1-21(11-12-25-14-13-24-2)16-15-17(22-7-3-4-8-22)20-18(19-16)23-9-5-6-10-23/h15H,3-14H2,1-2H3
InChIKeyMQNDRRWXPSRDGK-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.78
Rot. Bonds9

About N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 54086029) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
PubChem CID54086029
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
SMILESCOCCOCCN(C)c1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H31N5O2/c1-21(11-12-25-14-13-24-2)16-15-17(22-7-3-4-8-22)20-18(19-16)23-9-5-6-10-23/h15H,3-14H2,1-2H3
InChIKeyMQNDRRWXPSRDGK-UHFFFAOYSA-N
XLogP1.78
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N,N'-dimethylpentane-1,5-diamine
CID 142760300
N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine
CID 67535421
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 173080172
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 42613650
N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909455
N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112868823
N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258645
4-ethyl-6-(2-methoxyethyl)-2-piperidin-1-ylpyrimidine
CID 72847818
(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 100648038
N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 67529044
4-N-(2-ethoxyethyl)-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 81064691

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine (CID 54086029) is N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is COCCOCCN(C)c1cc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is MQNDRRWXPSRDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-21(11-12-25-14-13-24-2)16-15-17(22-7-3-4-8-22)20-18(19-16)23-9-5-6-10-23/h15H,3-14H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine?
N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 349.48 g/mol, XLogP of 1.78, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 54086029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).